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The molecular formula of Poly(isophorone diisocyanate) is C11H16N2O2.
The structure of Poly(isophorone diisocyanate) was created on 2005-09-14 and last modified on 2023-12-30.
The IUPAC name of Poly(isophorone diisocyanate) is 1,5-diisocyanato-1,3,3-trimethylcyclohexane.
The Canonical SMILES of Poly(isophorone diisocyanate) is CC1(CC(CC(C1)(C)N=C=O)N=C=O)C.
The InChIKey of Poly(isophorone diisocyanate) is XIIHTVOIRWYVJC-UHFFFAOYSA-N.
The molecular weight of Poly(isophorone diisocyanate) is 208.26 g/mol.
There are 4 hydrogen bond acceptor counts in Poly(isophorone diisocyanate).
The topological polar surface area of Poly(isophorone diisocyanate is 58.9 Ų.
There are 0 defined atom stereocenter counts in Poly(isophorone diisocyanate).
Yes, Poly(isophorone diisocyanate is a canonicalized compound.
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